SCHEMBL4690069

SCHEMBL4690069

CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4)c(C)c3)cc2)CC1.CCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4)c(C)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCHR1 Q99705 3/20 0.38
PKM P14618 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MAPK14 Q16539 3/20 0.38
FGFR1 P11362 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCR3 P51677 1/20 0.38
SLC5A7 Q9GZV3 1/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4236318 0.98 MCHR1 (0.39) SMN1; SMN2NPSR1MCHR1PKMHRH3
SCHEMBL4233740 0.98 MCHR1 (0.39) SMN1; SMN2NPSR1MCHR1PKMHRH3
SCHEMBL4238778 0.97 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1MCHR1PKMHRH3
SCHEMBL4236315 0.92 FGFR1 (0.43) MCHR1PKMHRH3MAPK14FGFR1
SCHEMBL4688299 0.91 HRH3 (0.47) HRH3
SCHEMBL4240249 0.91 SMN1; SMN2 (0.45) SMN1; SMN2NPSR1MCHR1PKMFGFR1
SCHEMBL4238977 0.91 MCHR1 (0.39) SMN1; SMN2NPSR1MCHR1PKMHRH3
SCHEMBL4228695 0.91 MCHR1 (0.44) SMN1; SMN2NPSR1MCHR1PKMHRH3
SCHEMBL4238290 0.91 CSF1R (0.43) SMN1; SMN2MCHR1PKMFGFR1MAPT
SCHEMBL4233894 0.90 MCHR1 (0.47) SMN1; SMN2NPSR1MCHR1PKMFGFR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed